| CAS Number | 326829-08-7 |
| Catalog Number | AG0037OF(AGN-PC-00DPLH) |
| Chemical Name | 3-Chloro-4,5-dihydro-5,5-dimethylisoxazole |
| IUPAC Name | 3-chloro-5,5-dimethyl-4H-1,2-oxazole |
| InChI | InChI=1S/C5H8ClNO/c1-5(2)3-4(6)7-8-5/h3H2,1-2H3 |
| InChI Key | YMCWJQIZJIKFHO-UHFFFAOYSA-N |
| MDL Number | MFCD27997642 |
| Molecular Formula | C5H8ClNO |
| Molecular Weight | 133.5761 |
| SMILES | ClC1=NOC(C1)(C)C |
| Synonyms | 326829-08-7,
Isoxazole, 3-chloro-4,5-dihydro-5,5-dimethyl-,
SCHEMBL1412392,
CTK1B9058,
DTXSID40470228,
YMCWJQIZJIKFHO-UHFFFAOYSA-N,
3-chloro-5,5-dimethyl-2-isoxazoline,
AKOS028113715,
3-Chloro-4,5-dihydro-5,5-dimethylisoxazole,
3-chloro-5,5-dimethyl-4H-1,2-oxazole,
CID11665417,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.575g/mol |
| Monoisotopic Mass | 133.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number